Zinc caprylate

Base Information

• Chemical Name: Zinc caprylate
• CAS No.: 557-09-5
• Deprecated CAS: 86338-28-5,461038-89-1,1207106-23-7,461038-89-1
• Molecular Formula: C16H30O4Zn
• Molecular Weight: 351.802
• European Community (EC) Number: 291-793-4,209-156-6
• UNII: QL5435GI2S
• DSSTox Substance ID: DTXSID2042517
• Nikkaji Number: J54.269E
• Wikipedia: Zinc caprylate
• Wikidata: Q27287315
• NCI Thesaurus Code: C84246
• ChEMBL ID: CHEMBL3559812
• Mol file: 557-09-5.mol

Synonyms:Zinc caprylate;Zinc octanoate;Zinc dioctanoate;557-09-5;Zinc dioctylate;Zinc octoate;zinc;octanoate;Zinc octylate;Octanoic acid, zinc salt;Zinc(II) octoate;OCTANOIC ACID, ZINC SALT (2:1);Zinc(2+) octanoate;Octanoic acid zinc salt;Octanoic acid, zinc salt, basic;EINECS 209-156-6;EINECS 291-793-4;NSC 63869;UNII-QL5435GI2S;QL5435GI2S;0ctanoic acid, zinc salt;DTXSID2042517;EC 291-793-4;90480-58-3;86338-28-5;C8H16O2.1/2Zn;NSC-63869;zinc(II) octanoate;Caprylic acid zinc salt;caprylic acid, zinc salt;ZINC CAPRYLATE [MI];SCHEMBL129986;2C8H15O2.Zn;CHEMBL3559812;DTXCID0022517;CHJMFFKHPHCQIJ-UHFFFAOYSA-L;Tox21_113995;NCGC00253568-01;CAS-557-09-5;LS-98012;Q27287315

Chemical Property of Zinc caprylate

Chemical Property:

• Appearance/Colour: lustrous scale-like crystals
• Vapor Pressure: 0.022mmHg at 25°C
• Melting Point: 136°
• Boiling Point: 239.3 °C at 760 mmHg
• Flash Point: 107.4 °C
• PSA: 37.30000
• Density: 1.19 g/cm3
• LogP: 2.42900
• Water Solubility.: slightly soluble boiling H2O; soluble boiling alcohol [HAW93]
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 350.143551
• Heavy Atom Count: 21
• Complexity: 83.7

Purity/Quality:

99% ^*data from raw suppliers

ZINC CAPRYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Organic Acids, Metal Salts
• Canonical SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Zn+2]
• Uses: As fungicide like zinc propionate.
• Clinical Use: Zinc caprylate is a fine white powder that is insoluble inwater or alcohol. The compound is used as a topical fungicide.The salt is highly unstable to moisture.

Technology Process of Zinc caprylate

There total 9 articles about Zinc caprylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

Octanoic acid (124-07-2) + zinc(II) oxide → zinc(II) octanoate (557-09-5)

Guidance literature:

In ethanol; prepn. by refluxing ZnO with excess of carboxylic acid in EtOH for about2 h; cooled; ppt. filtered off; washed (EtOH) repeatedly; collected; kept over silica gel in vac. desiccator; elem. anal.;

DOI:10.1016/j.saa.2006.11.007

Reference yield: 81.0%

Octanoic acid (124-07-2) + zinc(II) carbonate (743369-26-8) → zinc(II) octanoate (557-09-5)

Guidance literature:

In water; for 2h; Reflux;

DOI:10.1002/ejic.202001091

Reference yield:

Octanoic acid (124-07-2) + zinc(II) hydroxide → zinc(II) octanoate (557-09-5)

Guidance literature:

In octane; byproducts: H2O; Zn(OH)2 refluxed with 50% excess of C8H15OOH in octane; cooled slow, filtered off, washed with octane, elem. anal.;

DOI:10.1016/S0020-1693(00)85309-8

upstream raw materials:

bis(dimethylcarbamodithioato-κS,κS')zinc(II)

Octanoic acid

zinc diacetate

potassium octanoate

Refernces

• 1、 Sturm, Lisa,G?b, Christian R.,Oppel, Iris M.. "Anion Directed Selective Synthesis of Supramolecular Metallocycles and Related Coordination Dimers". supporting information. p. 1050 - 1056. Retrieved 2021/02/01.
• 2、 Taylor, Richard A.,Ellis, Henry A.. "Room temperature molecular and lattice structures of a homologous series of anhydrous zinc(II) n-alkanoate". . p. 99 - 107. Retrieved 2008/02/13.